2-pyridin-2-yl-1-(thian-2-yl)ethanol

C12H17NOS — CID 80622096

IUPAC2-pyridin-2-yl-1-(thian-2-yl)ethanol
SMILESOC(Cc1ccccn1)C1CCCCS1
InChIInChI=1S/C12H17NOS/c14-11(12-6-2-4-8-15-12)9-10-5-1-3-7-13-10/h1,3,5,7,11-12,14H,2,4,6,8-9H2
InChIKeyVPYWOFIJGMTUBK-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.27
Rot. Bonds3

About 2-pyridin-2-yl-1-(thian-2-yl)ethanol

2-pyridin-2-yl-1-(thian-2-yl)ethanol (PubChem CID 80622096) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-(thian-2-yl)ethanol.

Molecular Properties

Compound Name2-pyridin-2-yl-1-(thian-2-yl)ethanol
PubChem CID80622096
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-pyridin-2-yl-1-(thian-2-yl)ethanol
SMILESOC(Cc1ccccn1)C1CCCCS1
InChIInChI=1S/C12H17NOS/c14-11(12-6-2-4-8-15-12)9-10-5-1-3-7-13-10/h1,3,5,7,11-12,14H,2,4,6,8-9H2
InChIKeyVPYWOFIJGMTUBK-UHFFFAOYSA-N
XLogP2.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-2-ylethanol
CID 105106044
1-piperidin-3-yl-2-pyridin-2-ylethanol
CID 80560318
2-(4-iodophenyl)-1-(thian-2-yl)ethanol
CID 80623165
2-(2,3-dichlorophenyl)-1-(thian-2-yl)ethanol
CID 107308228
1-(oxolan-3-yl)-2-pyridin-2-ylethanol
CID 63562842
2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol
CID 80621626
(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol
CID 70411130
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622676
2-(4-iodophenyl)-1-(thiolan-2-yl)ethanol
CID 80623267
2-(4-bromo-2-fluorophenyl)-1-(thian-2-yl)ethanol
CID 80621746
1-cyclohexyl-N-methyl-2-pyridin-2-ylethanamine
CID 60819908
2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622777

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-(thian-2-yl)ethanol?
The IUPAC name of 2-pyridin-2-yl-1-(thian-2-yl)ethanol (CID 80622096) is 2-pyridin-2-yl-1-(thian-2-yl)ethanol.
What is the SMILES notation for 2-pyridin-2-yl-1-(thian-2-yl)ethanol?
The canonical SMILES for 2-pyridin-2-yl-1-(thian-2-yl)ethanol is OC(Cc1ccccn1)C1CCCCS1.
What is the InChIKey of 2-pyridin-2-yl-1-(thian-2-yl)ethanol?
The InChIKey is VPYWOFIJGMTUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-11(12-6-2-4-8-15-12)9-10-5-1-3-7-13-10/h1,3,5,7,11-12,14H,2,4,6,8-9H2.
What are the key properties of 2-pyridin-2-yl-1-(thian-2-yl)ethanol?
2-pyridin-2-yl-1-(thian-2-yl)ethanol has a molecular weight of 223.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-(thian-2-yl)ethanol is sourced from PubChem (CID 80622096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).